SCHEMBL12436940

SCHEMBL12436940

CC(=O)C1CCN(C(=O)C(C)(C)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 1/20 0.41
NAMPT P43490 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FASN P49327 1/20 0.38
PDK2 Q15119 2/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13328864 0.86 LMNA (0.42) HRH3LMNASMN1; SMN2PDK2HPGD
SCHEMBL31403181 0.82 GAA (0.51) SMN1; SMN2
SCHEMBL12436970 0.80 EPHX1 (0.43) HRH3LMNASMN1; SMN2PDK2
SCHEMBL10140531 0.79 ALDH1A1 (0.52) LMNANAMPTFASNHPGDMEN1
SCHEMBL14009873 0.79 FASN (0.33) FASNPDK2
SCHEMBL14009855 0.78 ALDH1A1 (0.43) LMNAHPGDMEN1KMT2A
SCHEMBL14417808 0.78 CHRM2 (0.46) HRH3LMNANAMPTFASNCYP2D6
SCHEMBL190928 0.76 CYP1A2 (0.48) SMN1; SMN2
SCHEMBL2603236 0.76 NAMPT (0.39) HRH3LMNANAMPTFASNCYP2D6
SCHEMBL14009820 0.76 NAMPT (0.42) LMNANAMPTSMN1; SMN2PDK2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 WO disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B HRH3 17/4885LMNA 1748/4885NAMPT 2122/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR HRH3 43/4885LMNA 4742/4885NAMPT 4382/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT HRH3 18/4885LMNA 2178/4885NAMPT 1340/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.